N-(propan-2-yloxymethyl)propan-2-amine

C7H17NO — CID 20814941

IUPACN-(propan-2-yloxymethyl)propan-2-amine
SMILESCC(C)NCOC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)8-5-9-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIQJFXKDLRYJBSM-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.37
Rot. Bonds4

About N-(propan-2-yloxymethyl)propan-2-amine

N-(propan-2-yloxymethyl)propan-2-amine (PubChem CID 20814941) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-(propan-2-yloxymethyl)propan-2-amine.

Molecular Properties

Compound NameN-(propan-2-yloxymethyl)propan-2-amine
PubChem CID20814941
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-(propan-2-yloxymethyl)propan-2-amine
SMILESCC(C)NCOC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)8-5-9-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIQJFXKDLRYJBSM-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-yloxymethyl)propan-2-amine?
The IUPAC name of N-(propan-2-yloxymethyl)propan-2-amine (CID 20814941) is N-(propan-2-yloxymethyl)propan-2-amine.
What is the SMILES notation for N-(propan-2-yloxymethyl)propan-2-amine?
The canonical SMILES for N-(propan-2-yloxymethyl)propan-2-amine is CC(C)NCOC(C)C.
What is the InChIKey of N-(propan-2-yloxymethyl)propan-2-amine?
The InChIKey is IQJFXKDLRYJBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)8-5-9-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of N-(propan-2-yloxymethyl)propan-2-amine?
N-(propan-2-yloxymethyl)propan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-yloxymethyl)propan-2-amine is sourced from PubChem (CID 20814941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).